File: RunTest.sh

package info (click to toggle)
cpptraj 5.1.0%2Bdfsg-5
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 139,188 kB
  • sloc: cpp: 145,622; ansic: 34,635; sh: 11,365; f90: 971; makefile: 770; awk: 242
file content (26 lines) | stat: -rwxr-xr-x 411 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
#!/bin/bash

. ../MasterTest.sh

# Clean
CleanFiles average.in test.pdb test2.pdb
TESTNAME='Average test'
Requires netcdf
TOP="../tz2.parm7"

# Test 1
cat > average.in <<EOF
trajin ../tz2.nc
average test.pdb pdb chainid X
average crdset Tz2Avg 
run
crdout Tz2Avg test2.pdb chainid X
EOF
INPUT="average.in"
RunCpptraj "Average Test."
DoTest test.pdb.save test.pdb
DoTest test.pdb.save test2.pdb

EndTest

exit 0